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Patent code US9145354

Compile Data Set for Download or QSAR

Found 231 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60670
PNG
(BDBM183479 | US9145354, 266 | US9145354, 83)
Show SMILES CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C19H22ClFN4O2/c1-3-14(25-10(2)8-16(23)26)12-5-6-13(20)17(18(12)21)19(27)11-4-7-15(22)24-9-11/h4-7,9-10,14,25H,3,8H2,1-2H3,(H2,22,24)(H2,23,26)/t10-,14-/m1/s1
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US Patent
n/an/a 500n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60672
PNG
(BDBM183488 | US9145354, 94)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C19H21ClFN3O2/c1-3-15(24-11(2)9-16(22)25)13-6-7-14(20)17(18(13)21)19(26)12-5-4-8-23-10-12/h4-8,10-11,15,24H,3,9H2,1-2H3,(H2,22,25)/t11-,15+/m0/s1
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US Patent
n/an/a 1.00E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60683
PNG
(US9145354, 140)
Show SMILES CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(nc2)-n2cccn2)c1F |r|
Show InChI InChI=1S/C22H23ClFN5O2/c1-3-17(28-13(2)11-18(25)30)15-6-7-16(23)20(21(15)24)22(31)14-5-8-19(26-12-14)29-10-4-9-27-29/h4-10,12-13,17,28H,3,11H2,1-2H3,(H2,25,30)/t13-,17-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60685
PNG
(US9145354, 153)
Show SMILES CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C21H25FN2O3/c1-4-16(24-13(2)12-18(23)25)15-10-11-17(27-3)19(20(15)22)21(26)14-8-6-5-7-9-14/h5-11,13,16,24H,4,12H2,1-3H3,(H2,23,25)/t13-,16-/m1/s1
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n/an/a 490n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60706
PNG
(US9145354, 221)
Show SMILES CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)c(C)c2)c1F |r|
Show InChI InChI=1S/C21H25ClFN3O2/c1-4-17(26-12(3)10-18(25)27)14-6-7-15(22)19(20(14)23)21(28)13-5-8-16(24)11(2)9-13/h5-9,12,17,26H,4,10,24H2,1-3H3,(H2,25,27)/t12-,17-/m1/s1
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n/an/a 360n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60716
PNG
(US9145354, 251)
Show SMILES CC[C@H](NC(C)(C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C21H27FN4O3/c1-5-14(26-21(2,3)10-17(24)27)13-7-8-15(29-4)18(19(13)22)20(28)12-6-9-16(23)25-11-12/h6-9,11,14,26H,5,10H2,1-4H3,(H2,23,25)(H2,24,27)/t14-/m0/s1
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n/an/a 300n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60728
PNG
(US9145354, 277)
Show SMILES CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccc(cc2)C#N)c1F |r|
Show InChI InChI=1S/C22H24FN3O3/c1-4-17(26-13(2)11-19(25)27)16-9-10-18(29-3)20(21(16)23)22(28)15-7-5-14(12-24)6-8-15/h5-10,13,17,26H,4,11H2,1-3H3,(H2,25,27)/t13-,17-/m1/s1
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n/an/a 730n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183631
PNG
(US9145354, 298)
Show SMILES CC[C@H](NC(=O)C[C@@H](N)C(C)C)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C21H25ClFN3O2/c1-4-17(26-18(27)10-16(24)12(2)3)14-7-8-15(22)19(20(14)23)21(28)13-6-5-9-25-11-13/h5-9,11-12,16-17H,4,10,24H2,1-3H3,(H,26,27)/t16-,17+/m1/s1
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n/an/a 64n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183415
PNG
(US9145354, 11)
Show SMILES N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C17H15ClFNO/c18-13-9-8-12(16(20)10-6-7-10)15(19)14(13)17(21)11-4-2-1-3-5-11/h1-5,8-10,16H,6-7,20H2/t16-/m1/s1
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n/an/a 130n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183422
PNG
(US9145354, 18)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2cccc(c2)C#N)c1F |r|
Show InChI InChI=1S/C17H14ClFN2O/c1-2-14(21)12-6-7-13(18)15(16(12)19)17(22)11-5-3-4-10(8-11)9-20/h3-8,14H,2,21H2,1H3/t14-/m1/s1
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n/an/a 620n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183432
PNG
(US9145354, 30)
Show SMILES CC[C@H](N)c1ccc(Cl)c(C(=O)c2ccc(Cl)nc2)c1F |r|
Show InChI InChI=1S/C15H13Cl2FN2O/c1-2-11(19)9-4-5-10(16)13(14(9)18)15(21)8-3-6-12(17)20-7-8/h3-7,11H,2,19H2,1H3/t11-/m0/s1
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n/an/a 210n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183440
PNG
(US9145354, 38)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(=O)[nH]c2)c1F |r|
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n/an/a 3.60E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183455
PNG
(US9145354, 55)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2cn[nH]c2)c1F |r|
PDB
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n/an/a 4.40E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183461
PNG
(US9145354, 61)
Show SMILES N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc(N)cn2)c1F |r|
Show InChI InChI=1S/C16H15ClFN3O/c17-11-5-4-10(15(20)8-1-2-8)14(18)13(11)16(22)12-6-3-9(19)7-21-12/h3-8,15H,1-2,19-20H2/t15-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183468
PNG
(US9145354, 68)
Show SMILES N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F |r|
Show InChI InChI=1S/C18H17ClFNO2/c19-14-8-7-13(17(21)11-5-6-11)16(20)15(14)18(23)12-3-1-10(9-22)2-4-12/h1-4,7-8,11,17,22H,5-6,9,21H2/t17-/m1/s1
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n/an/a 210n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183489
PNG
(US9145354, 95)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccc(F)c2)c1F |r|
Show InChI InChI=1S/C20H21ClF2N2O2/c1-3-16(25-11(2)9-17(24)26)14-7-8-15(21)18(19(14)23)20(27)12-5-4-6-13(22)10-12/h4-8,10-11,16,25H,3,9H2,1-2H3,(H2,24,26)/t11-,16+/m0/s1
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n/an/a 85n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183492
PNG
(US9145354, 101)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccc(c2)C#N)c1F |r|
Show InChI InChI=1S/C21H21ClFN3O2/c1-3-17(26-12(2)9-18(25)27)15-7-8-16(22)19(20(15)23)21(28)14-6-4-5-13(10-14)11-24/h4-8,10,12,17,26H,3,9H2,1-2H3,(H2,25,27)/t12-,17+/m0/s1
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n/an/a 110n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183494
PNG
(US9145354, 104)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccccn2)c1F |r|
Show InChI InChI=1S/C19H21ClFN3O2/c1-3-14(24-11(2)10-16(22)25)12-7-8-13(20)17(18(12)21)19(26)15-6-4-5-9-23-15/h4-9,11,14,24H,3,10H2,1-2H3,(H2,22,25)/t11-,14+/m0/s1
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n/an/a 240n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183506
PNG
(US9145354, 125 | US9145354, 126 | US9145354, 127)
Show SMILES CCC(NC1CCCC1C(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F
Show InChI InChI=1S/C21H24ClFN4O2/c1-2-15(27-16-5-3-4-13(16)21(25)29)12-7-8-14(22)18(19(12)23)20(28)11-6-9-17(24)26-10-11/h6-10,13,15-16,27H,2-5H2,1H3,(H2,24,26)(H2,25,29)
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n/an/a 290n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183522
PNG
(US9145354, 145)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cncc(N)c2)c1F |r|
Show InChI InChI=1S/C19H22ClFN4O2/c1-3-15(25-10(2)6-16(23)26)13-4-5-14(20)17(18(13)21)19(27)11-7-12(22)9-24-8-11/h4-5,7-10,15,25H,3,6,22H2,1-2H3,(H2,23,26)/t10-,15+/m0/s1
PDB
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US Patent
n/an/a 840n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183524
PNG
(US9145354, 147)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(=O)[nH]c2)c1F |r|
PDB
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UniProtKB/SwissProt

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US Patent
n/an/a 390n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183533
PNG
(US9145354, 162)
Show SMILES CC[C@@H](NCCC(N)=O)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C18H19ClFN3O2/c1-2-14(23-9-7-15(21)24)12-5-6-13(19)16(17(12)20)18(25)11-4-3-8-22-10-11/h3-6,8,10,14,23H,2,7,9H2,1H3,(H2,21,24)/t14-/m1/s1
PDB
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n/an/a 590n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183566
PNG
(US9145354, 204)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2cccc(O)c2)c1F |r|
Show InChI InChI=1S/C16H15ClFNO2/c1-2-13(19)11-6-7-12(17)14(15(11)18)16(21)9-4-3-5-10(20)8-9/h3-8,13,20H,2,19H2,1H3/t13-/m1/s1
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n/an/a 170n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183570
PNG
(US9145354, 212)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2cccc(F)c2)c1F |r|
Show InChI InChI=1S/C21H24F2N2O3/c1-4-16(25-12(2)10-18(24)26)15-8-9-17(28-3)19(20(15)23)21(27)13-6-5-7-14(22)11-13/h5-9,11-12,16,25H,4,10H2,1-3H3,(H2,24,26)/t12-,16+/m0/s1
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n/an/a 94n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183577
PNG
(US9145354, 224)
Show SMILES COc1ccc([C@H](N[C@@H](C)CC(N)=O)C2CC2)c(F)c1C(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H24F2N2O3/c1-12(10-18(25)27)26-21(13-6-7-13)16-8-9-17(29-2)19(20(16)24)22(28)14-4-3-5-15(23)11-14/h3-5,8-9,11-13,21,26H,6-7,10H2,1-2H3,(H2,25,27)/t12-,21+/m0/s1
PDB
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n/an/a 81n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183579
PNG
(US9145354, 227)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccc(O)c2)c1F |r|
Show InChI InChI=1S/C20H22ClFN2O3/c1-3-16(24-11(2)9-17(23)26)14-7-8-15(21)18(19(14)22)20(27)12-5-4-6-13(25)10-12/h4-8,10-11,16,24-25H,3,9H2,1-2H3,(H2,23,26)/t11-,16+/m0/s1
PDB
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n/an/a 150n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60711
PNG
(BDBM183580 | US9145354, 228)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc3OCC(=O)Nc3n2)c1F |r|
Show InChI InChI=1S/C21H22ClFN4O4/c1-3-13(25-10(2)8-16(24)28)11-4-5-12(22)18(19(11)23)20(30)14-6-7-15-21(26-14)27-17(29)9-31-15/h4-7,10,13,25H,3,8-9H2,1-2H3,(H2,24,28)(H,26,27,29)/t10-,13+/m0/s1
PDB
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n/an/a 1.10E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183608
PNG
(US9145354, 270)
Show SMILES C[C@@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc3NC(=O)COc3c2)c1F |r|
Show InChI InChI=1S/C23H23ClFN3O4/c1-11(8-18(26)29)27-22(12-2-3-12)14-5-6-15(24)20(21(14)25)23(31)13-4-7-16-17(9-13)32-10-19(30)28-16/h4-7,9,11-12,22,27H,2-3,8,10H2,1H3,(H2,26,29)(H,28,30)/t11-,22+/m0/s1
PDB
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n/an/a 180n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183613
PNG
(US9145354, 278)
Show SMILES C[C@@H](CC(N)=O)N[C@H](CC1CC1)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C21H24ClFN4O2/c1-11(8-18(25)28)27-16(9-12-2-3-12)14-5-6-15(22)19(20(14)23)21(29)13-4-7-17(24)26-10-13/h4-7,10-12,16,27H,2-3,8-9H2,1H3,(H2,24,26)(H2,25,28)/t11-,16+/m0/s1
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n/an/a 500n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60687
PNG
(US9145354, 155)
Show SMILES C[C@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C20H22ClFN4O2/c1-10(8-16(24)27)26-19(11-2-3-11)13-5-6-14(21)17(18(13)22)20(28)12-4-7-15(23)25-9-12/h4-7,9-11,19,26H,2-3,8H2,1H3,(H2,23,25)(H2,24,27)/t10-,19-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60710
PNG
(US9145354, 226)
Show SMILES CC[C@H](CC(N)=O)N[C@H](CC)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C20H24ClFN4O2/c1-3-12(9-17(24)27)26-15(4-2)13-6-7-14(21)18(19(13)22)20(28)11-5-8-16(23)25-10-11/h5-8,10,12,15,26H,3-4,9H2,1-2H3,(H2,23,25)(H2,24,27)/t12-,15-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60727
PNG
(US9145354, 274)
Show SMILES CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccc(N)c(C)c2)c1F |r|
Show InChI InChI=1S/C22H28FN3O3/c1-5-17(26-13(3)11-19(25)27)15-7-9-18(29-4)20(21(15)23)22(28)14-6-8-16(24)12(2)10-14/h6-10,13,17,26H,5,11,24H2,1-4H3,(H2,25,27)/t13-,17-/m1/s1
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n/an/a 560n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60731
PNG
(BDBM183594 | US9145354, 280)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc3NC(=O)COc3c2)c1F |r|
Show InChI InChI=1S/C22H23ClFN3O4/c1-3-15(26-11(2)8-18(25)28)13-5-6-14(23)20(21(13)24)22(30)12-4-7-16-17(9-12)31-10-19(29)27-16/h4-7,9,11,15,26H,3,8,10H2,1-2H3,(H2,25,28)(H,27,29)/t11-,15+/m0/s1
PDB
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n/an/a 300n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183637
PNG
(US9145354, 304)
Show SMILES CC[C@@H](N[C@H](C)c1cnc[nH]1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
PDB
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n/an/a 4.70E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183638
PNG
(US9145354, 305)
Show SMILES CC[C@@H](N[C@@H](C)c1cnc[nH]1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
PDB
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n/an/a 1.10E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183640
PNG
(US9145354, 307)
Show SMILES CC[C@@H](NC)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C16H17ClFN3O/c1-3-12(20-2)10-5-6-11(17)14(15(10)18)16(22)9-4-7-13(19)21-8-9/h4-8,12,20H,3H2,1-2H3,(H2,19,21)/t12-/m1/s1
PDB
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n/an/a 340n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183406
PNG
(US9145354, 2)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C15H14ClFN2O/c1-2-12(18)10-5-6-11(16)13(14(10)17)15(20)9-4-3-7-19-8-9/h3-8,12H,2,18H2,1H3/t12-/m1/s1
PDB
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n/an/a 1.40E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM60668
PNG
(BDBM183408 | US9145354, 23)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
Show InChI InChI=1S/C16H15ClFNO/c1-2-13(19)11-8-9-12(17)14(15(11)18)16(20)10-6-4-3-5-7-10/h3-9,13H,2,19H2,1H3/t13-/m1/s1
PDB
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n/an/a 89n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183411
PNG
(US9145354, 7)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2cccc(F)c2)c1F |r|
Show InChI InChI=1S/C16H14ClF2NO/c1-2-13(20)11-6-7-12(17)14(15(11)19)16(21)9-4-3-5-10(18)8-9/h3-8,13H,2,20H2,1H3/t13-/m1/s1
PDB
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n/an/a 380n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183418
PNG
(US9145354, 14)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccccn2)c1F |r|
Show InChI InChI=1S/C15H14ClFN2O/c1-2-11(18)9-6-7-10(16)13(14(9)17)15(20)12-5-3-4-8-19-12/h3-8,11H,2,18H2,1H3/t11-/m1/s1
PDB
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n/an/a 2.50E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183424
PNG
(US9145354, 20)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2nccs2)c1F |r|
Show InChI InChI=1S/C13H12ClFN2OS/c1-2-9(16)7-3-4-8(14)10(11(7)15)12(18)13-17-5-6-19-13/h3-6,9H,2,16H2,1H3/t9-/m1/s1
PDB
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n/an/a 820n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183430
PNG
(US9145354, 28)
Show SMILES N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
Show InChI InChI=1S/C16H14ClFN2O/c17-12-6-5-11(15(19)9-3-4-9)14(18)13(12)16(21)10-2-1-7-20-8-10/h1-2,5-9,15H,3-4,19H2/t15-/m1/s1
PDB
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n/an/a 1.50E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183433
PNG
(US9145354, 31)
Show SMILES CC[C@H](N)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C15H15ClFN3O/c1-2-11(18)9-4-5-10(16)13(14(9)17)15(21)8-3-6-12(19)20-7-8/h3-7,11H,2,18H2,1H3,(H2,19,20)/t11-/m0/s1
PDB
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UniProtKB/SwissProt

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n/an/a 180n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183439
PNG
(US9145354, 37)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(nc2)-n2cccn2)c1F |r|
Show InChI InChI=1S/C18H16ClFN4O/c1-2-14(21)12-5-6-13(19)16(17(12)20)18(25)11-4-7-15(22-10-11)24-9-3-8-23-24/h3-10,14H,2,21H2,1H3/t14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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US Patent
n/an/a 490n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183449
PNG
(US9145354, 47)
Show SMILES N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
Show InChI InChI=1S/C16H15ClFN3O/c17-11-5-4-10(15(20)8-1-2-8)14(18)13(11)16(22)9-3-6-12(19)21-7-9/h3-8,15H,1-2,20H2,(H2,19,21)/t15-/m1/s1
PDB
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PC sid
UniChem

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US Patent
n/an/a 180n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183453
PNG
(US9145354, 52)
Show SMILES CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccnc(N)c2)c1F |r|
Show InChI InChI=1S/C15H15ClFN3O/c1-2-11(18)9-3-4-10(16)13(14(9)17)15(21)8-5-6-20-12(19)7-8/h3-7,11H,2,18H2,1H3,(H2,19,20)/t11-/m1/s1
PDB
MMDB

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UniChem

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US Patent
n/an/a 770n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183514
PNG
(US9145354, 134)
Show SMILES C[C@@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccncc2)c1F |r|
Show InChI InChI=1S/C20H21ClFN3O2/c1-11(10-16(23)26)25-19(12-2-3-12)14-4-5-15(21)17(18(14)22)20(27)13-6-8-24-9-7-13/h4-9,11-12,19,25H,2-3,10H2,1H3,(H2,23,26)/t11-,19+/m0/s1
PDB
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US Patent
n/an/a 85n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183515
PNG
(US9145354, 135)
Show SMILES CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cnc(N)cn2)c1F |r|
Show InChI InChI=1S/C18H21ClFN5O2/c1-3-12(25-9(2)6-15(22)26)10-4-5-11(19)16(17(10)20)18(27)13-7-24-14(21)8-23-13/h4-5,7-9,12,25H,3,6H2,1-2H3,(H2,21,24)(H2,22,26)/t9-,12-/m1/s1
PDB
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n/an/a 3.40E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183521
PNG
(US9145354, 144)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(cc2)C(O)=O)c1F |r|
Show InChI InChI=1S/C21H22ClFN2O4/c1-3-16(25-11(2)10-17(24)26)14-8-9-15(22)18(19(14)23)20(27)12-4-6-13(7-5-12)21(28)29/h4-9,11,16,25H,3,10H2,1-2H3,(H2,24,26)(H,28,29)/t11-,16+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM183551
PNG
(US9145354, 186)
Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F |r|
Show InChI InChI=1S/C21H24ClFN2O3/c1-3-17(25-12(2)10-18(24)27)15-8-9-16(22)19(20(15)23)21(28)14-6-4-13(11-26)5-7-14/h4-9,12,17,25-26H,3,10-11H2,1-2H3,(H2,24,27)/t12-,17+/m0/s1
PDB
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UniChem

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US Patent
n/an/a 110n/an/an/an/an/a25



ASTEX THERAPEUTICS LIMITED

US Patent


Assay Description
The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...

US Patent US9145354 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MMZ
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%